N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide

C26H28N2O5S — CID 146084787

IUPACN-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(CCC(O)c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H28N2O5S/c29-25(21-4-2-1-3-5-21)15-8-20-6-11-23(12-7-20)27-26(30)22-9-13-24(14-10-22)34(31,32)28-16-18-33-19-17-28/h1-7,9-14,25,29H,8,15-19H2,(H,27,30)
InChIKeyHRJKZSHFYLORTI-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.63
Rot. Bonds8

About N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide

N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 146084787) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID146084787
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC NameN-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(CCC(O)c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H28N2O5S/c29-25(21-4-2-1-3-5-21)15-8-20-6-11-23(12-7-20)27-26(30)22-9-13-24(14-10-22)34(31,32)28-16-18-33-19-17-28/h1-7,9-14,25,29H,8,15-19H2,(H,27,30)
InChIKeyHRJKZSHFYLORTI-UHFFFAOYSA-N
XLogP3.63
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 100678383
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
CID 17134329
2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4655484
1-(3,3-diphenylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 3601294

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide (CID 146084787) is N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(CCC(O)c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HRJKZSHFYLORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c29-25(21-4-2-1-3-5-21)15-8-20-6-11-23(12-7-20)27-26(30)22-9-13-24(14-10-22)34(31,32)28-16-18-33-19-17-28/h1-7,9-14,25,29H,8,15-19H2,(H,27,30).
What are the key properties of N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 480.59 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 146084787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).